UCSF

ZINC20265177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.28 -34.99 3 3 1 34 234.367 3
Mid Mid (pH 6-8) 2.19 3.05 -4.32 2 3 0 32 233.359 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )